The CP2K project : input section XC_GRID

Section XC_GRID

Index of all sections. This section is located at __ROOT__%FORCE_EVAL%DFT%TDDFPT%XC%XC_GRID.

The xc parameters used when calculating the xc on the grid. This section can not be repeated and can be optional.

Subsections

None

Section keywords

Keyword descriptions

XC_SMOOTH_RHO
xc_smooth_rho nn10
The density smoothing used for the xc calculation
This optional keyword expects a keyword. Default value: NONE
valid keywords: NONE, NN50, NN10, SPLINE2, NN6, SPLINE3, NN4
XC_DERIV
xc_deriv NN10_SMOOTH
The method used to compute the derivatives
This optional keyword expects a keyword. Default value: PW
valid keywords: PW, SPLINE3, SPLINE2, NN50_SMOOTH, NN10_SMOOTH, SPLINE2_SMOOTH, NN6_SMOOTH, SPLINE3_SMOOTH, NN4_SMOOTH, COLLOCATE
USE_FINER_GRID
use_finer_grid
Uses a finer grid only to calculate the xc
This optional keyword expects a logical
This keyword behaves as a switch T . Default value: F


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